SCHEMBL4428569

SCHEMBL4428569

CCCCN(CCO)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.36
MLYCD O95822 6/20 0.34
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD3 P35462 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4416234 0.95 OPRD1 (0.39) OPRD1MLYCDTHRATHRBGAA
SCHEMBL4425716 0.92 OPRD1 (0.38) OPRD1MLYCDHPGDTSHRL3MBTL1
SCHEMBL4415856 0.88 OPRD1 (0.47) OPRD1MLYCDKCNH2HPGDL3MBTL1
SCHEMBL3675207 0.86 OPRD1 (0.46) OPRD1MLYCDLMNACYP3A4CYP2D6
SCHEMBL4417620 0.80 OPRD1 (0.46) OPRD1MLYCDKCNH2TSHR
SCHEMBL3102250 0.79 OPRD1 (0.40) OPRD1MLYCDLMNACYP3A4CYP2D6
SCHEMBL4418395 0.77 MLYCD (0.43) OPRD1MLYCDKCNH2HPGD
SCHEMBL13999298 0.76 OPRD1 (0.41) OPRD1MLYCDHPGDTSHRL3MBTL1
SCHEMBL4416072 0.76 MLYCD (0.44) OPRD1MLYCDGAALMNACYP1A2
SCHEMBL4422340 0.75 SMN1; SMN2 (0.37) OPRD1LMNAHPGDL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed